[3-(cyclopentylamino)propyl]dimethylamine dihydrochloride

• ChemBase ID: 55677
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: N(CCCNC1CCCC1)(C)C.Cl.Cl
• Canonical SMILES: CN(CCCNC1CCCC1)C.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-12(2)9-5-8-11-10-6-3-4-7-10;;/h10-11H,3-9H2,1-2H3;2*1H
• InChIKey: CYTBBHIEIAOJLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclopentylamino)propyl]dimethylamine dihydrochloride
• IUPAC Traditional name: [3-(cyclopentylamino)propyl]dimethylamine dihydrochloride
• Synonyms: N'-Cyclopentyl-N,N-dimethylpropane-1,3-diamine dihydrochloride; N1-cyclopentyl-N3,N3-dimethylpropane-1,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD10007610
• PubChem SID: 162060440
• PubChem CID: 24279046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5160074
• LogD (pH = 7.4): -2.53178
• Log P: 1.2404276
• Molar Refractivity: 53.9911 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: 2 HCl